[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methyl-3-nitro-phenyl)methanone

Systemtic Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-(4-methyl-3-nitro-phenyl)methanone Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O3S/c1-13-8-9-14(11-17(13)23(25)26)20(24)22-10-4-5-15(12-22)19-21-16-6-2-3-7-18(16)27-19/h2-3,6-9,11,15H,4-5,10,12H2,1H3/t15-/m1/s1